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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kynurenine 3-monooxygenase' and Ligand = 'BDBM50237998'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Pseudomonas fluorescens)
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50237998
PNG
(CHEMBL1881960)
Show SMILES Oc1nc2cc(Cl)c(Cl)cc2o1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair